5280371
 OpenBabel05082101102D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.3424   -1.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5350    0.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5460   -0.6377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4 15  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5280371

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
312

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwOAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEiB8AAAGgAACAAADASgmAIwDsAABkCIAqjSiAACCAAkIAAIiAEGCMgMJzaGNBqCe2Cl4BUIuYfK7PzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-7-furo[3,2-g][1]benzopyranone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_NAME>
4-hydroxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-oxidanylfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxyfuro[3,2-g]chromen-7-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H

>  <PUBCHEM_IUPAC_INCHIKEY>
GIJHDGJRTUSBJR-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2

>  <PUBCHEM_EXACT_MASS>
202.026609

>  <PUBCHEM_MOLECULAR_FORMULA>
C11H6O4

>  <PUBCHEM_MOLECULAR_WEIGHT>
202.16

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O

>  <PUBCHEM_CACTVS_TPSA>
59.7

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
202.026609

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
1  13  8
1  7  8
11  13  8
12  14  8
14  15  8
2  15  8
2  9  8
5  11  8
5  7  8
5  8  8
6  12  8
6  8  8
6  9  8
7  10  8
9  10  8

$$$$
